5-cyano-4-methyl-6-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1-propyl-pyridin-2-olate

Systemtic Name: 5-cyano-4-methyl-6-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1-propyl-pyridin-2-olate Openeye Name: 5-cyano-4-methyl-6-oxo-3-(piperidin-1-ium-1-ylmethyl)-1-propyl-pyridin-2-olate CAS Name: 5-cyano-4-methyl-6-oxo-3-(1-piperidin-1-iumylmethyl)-1-propyl-2-pyridinolate IUPAC Name: 5-cyano-4-methyl-6-oxo-3-(piperidin-1-ium-1-ylmethyl)-1-propylpyridin-2-olate Traditional Name: 5-cyano-6-keto-4-methyl-3-(piperidin-1-ium-1-ylmethyl)-1-propyl-pyridin-2-olate Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C(C1=O)C#N)C)C[NH+]2CCCCC2)[O-]

Isomeric SMILES

CCCN1C(=C(C(=C(C1=O)C#N)C)C[NH+]2CCCCC2)[O-]

InChI

InChI=1S/C16H23N3O2/c1-3-7-19-15(20)13(10-17)12(2)14(16(19)21)11-18-8-5-4-6-9-18/h21H,3-9,11H2,1-2H3